9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole

C69H48N4 — CID 153304404

IUPAC9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole
SMILESC1=CCC(c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4c(-c5ccccc5)cccc4c4cccc(-c5ccccc5)c43)cc2)C=C1
InChIInChI=1S/C69H48N4/c1-7-21-47(22-8-1)49-37-41-53(42-38-49)62-45-57(69-71-67(55-29-15-5-16-30-55)70-68(72-69)56-31-17-6-18-32-56)46-63(54-43-39-50(40-44-54)48-23-9-2-10-24-48)66(62)73-64-58(51-25-11-3-12-26-51)33-19-35-60(64)61-36-20-34-59(65(61)73)52-27-13-4-14-28-52/h1-23,25-46,48H,24H2
InChIKeyQQIRYIQFHBYDFN-UHFFFAOYSA-N
MW933.17 g/mol
LogP17.90
Rot. Bonds10

About 9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole

9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole (PubChem CID 153304404) has the molecular formula C69H48N4 and a molecular weight of 933.17 g/mol. Its IUPAC name is 9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole.

Molecular Properties

Compound Name9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole
PubChem CID153304404
Molecular FormulaC69H48N4
Molecular Weight933.17 g/mol
Exact Mass932.39
IUPAC Name9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole
SMILESC1=CCC(c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4c(-c5ccccc5)cccc4c4cccc(-c5ccccc5)c43)cc2)C=C1
InChIInChI=1S/C69H48N4/c1-7-21-47(22-8-1)49-37-41-53(42-38-49)62-45-57(69-71-67(55-29-15-5-16-30-55)70-68(72-69)56-31-17-6-18-32-56)46-63(54-43-39-50(40-44-54)48-23-9-2-10-24-48)66(62)73-64-58(51-25-11-3-12-26-51)33-19-35-60(64)61-36-20-34-59(65(61)73)52-27-13-4-14-28-52/h1-23,25-46,48H,24H2
InChIKeyQQIRYIQFHBYDFN-UHFFFAOYSA-N
XLogP17.90
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.17
LogP ≤ 517.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole
CID 167401664
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole
CID 146281289
9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,8-diphenylcarbazole
CID 146281025
5-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole
CID 155179799
9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[4-[(1S)-cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-6-[(4R)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-3,6-diphenylcarbazole
CID 167072509
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,8-diphenylcarbazole
CID 169056002
5-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 163810856
5-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 171771502
9-[2-cyclohexa-2,4-dien-1-yl-4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-6-phenylphenyl]-1,3,6,8-tetraphenylcarbazole
CID 165020345
2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(4-phenylphenyl)-6-[2-(2,3,4,5-tetraphenylphenyl)phenyl]pyrimidine
CID 154987166
9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,4,5,8-tetraphenylcarbazole
CID 153301126
9-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)dibenzothiophen-4-yl]-4-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 139556076

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole?
The IUPAC name of 9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole (CID 153304404) is 9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole.
What is the SMILES notation for 9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole?
The canonical SMILES for 9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole is C1=CCC(c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4c(-c5ccccc5)cccc4c4cccc(-c5ccccc5)c43)cc2)C=C1.
What is the InChIKey of 9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole?
The InChIKey is QQIRYIQFHBYDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H48N4/c1-7-21-47(22-8-1)49-37-41-53(42-38-49)62-45-57(69-71-67(55-29-15-5-16-30-55)70-68(72-69)56-31-17-6-18-32-56)46-63(54-43-39-50(40-44-54)48-23-9-2-10-24-48)66(62)73-64-58(51-25-11-3-12-26-51)33-19-35-60(64)61-36-20-34-59(65(61)73)52-27-13-4-14-28-52/h1-23,25-46,48H,24H2.
What are the key properties of 9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole?
9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole has a molecular weight of 933.17 g/mol, XLogP of 17.90, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole is sourced from PubChem (CID 153304404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).